| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5268995
Max Phase: Preclinical
Molecular Formula: C18H16F3N7OS
Molecular Weight: 435.44
Associated Items:
Representations
Canonical SMILES: O=C(c1cnc(Nc2ncccn2)s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
Standard InChI: InChI=1S/C18H16F3N7OS/c19-18(20,21)12-2-3-14(24-10-12)27-6-8-28(9-7-27)15(29)13-11-25-17(30-13)26-16-22-4-1-5-23-16/h1-5,10-11H,6-9H2,(H,22,23,25,26)
Standard InChI Key: KYEBOPGXXCXWNL-UHFFFAOYSA-N
Associated Targets(non-human)
Erythromycin resistance protein 32 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 435.44 | Molecular Weight (Monoisotopic): 435.1089 | AlogP: 3.05 | #Rotatable Bonds: 4 |
| Polar Surface Area: 87.14 | Molecular Species: ACID | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.84 | CX Basic pKa: 5.12 | CX LogP: 2.44 | CX LogD: 1.58 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.67 | Np Likeness Score: -2.43 |
References
| 1. Jeremia L, Deprez BE, Dey D, Conn GL, Wuest WM.. (2023) Ribosome-targeting antibiotics and resistance via ribosomal RNA methylation., 14 (4): [PMID:37122541] [10.1039/d2md00459c] |
Source
Source(1):